1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene

C10H10O — CID 139260692

IUPAC1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESC1=CCC2=C(C=CC3OC23)C1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-2,5-6,9-10H,3-4H2
InChIKeyVQWYGXVLMGTNCB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.97
Rot. Bonds

About 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene

1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene (PubChem CID 139260692) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene
PubChem CID139260692
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESC1=CCC2=C(C=CC3OC23)C1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-2,5-6,9-10H,3-4H2
InChIKeyVQWYGXVLMGTNCB-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene?
The IUPAC name of 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene (CID 139260692) is 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene.
What is the SMILES notation for 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene?
The canonical SMILES for 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene is C1=CCC2=C(C=CC3OC23)C1.
What is the InChIKey of 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene?
The InChIKey is VQWYGXVLMGTNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-2,5-6,9-10H,3-4H2.
What are the key properties of 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene?
1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,4,7,7b-tetrahydronaphtho[1,2-b]oxirene is sourced from PubChem (CID 139260692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).